4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide

C27H44N6O2 — CID 23626884

IUPAC4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(N2CCCC(C(=O)N3CCN(c4cccc(C)n4)CC3)C2)CC1
InChIInChI=1S/C27H44N6O2/c1-3-4-5-13-28-27(35)32-15-11-24(12-16-32)33-14-7-9-23(21-33)26(34)31-19-17-30(18-20-31)25-10-6-8-22(2)29-25/h6,8,10,23-24H,3-5,7,9,11-21H2,1-2H3,(H,28,35)
InChIKeyLDYUDYIFJCMNOS-UHFFFAOYSA-N
MW484.69 g/mol
LogP3.11
Rot. Bonds7

About 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide

4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide (PubChem CID 23626884) has the molecular formula C27H44N6O2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide
PubChem CID23626884
Molecular FormulaC27H44N6O2
Molecular Weight484.69 g/mol
Exact Mass484.35
IUPAC Name4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(N2CCCC(C(=O)N3CCN(c4cccc(C)n4)CC3)C2)CC1
InChIInChI=1S/C27H44N6O2/c1-3-4-5-13-28-27(35)32-15-11-24(12-16-32)33-14-7-9-23(21-33)26(34)31-19-17-30(18-20-31)25-10-6-8-22(2)29-25/h6,8,10,23-24H,3-5,7,9,11-21H2,1-2H3,(H,28,35)
InChIKeyLDYUDYIFJCMNOS-UHFFFAOYSA-N
XLogP3.11
TPSA72.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-(4-butoxyphenyl)-4-[(3S)-3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]piperidine-1-carboxamide
CID 23626886
[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
CID 72907622
N-[(3-methylphenyl)methyl]-4-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 23626556
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide (CID 23626884) is 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCC(N2CCCC(C(=O)N3CCN(c4cccc(C)n4)CC3)C2)CC1.
What is the InChIKey of 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide?
The InChIKey is LDYUDYIFJCMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N6O2/c1-3-4-5-13-28-27(35)32-15-11-24(12-16-32)33-14-7-9-23(21-33)26(34)31-19-17-30(18-20-31)25-10-6-8-22(2)29-25/h6,8,10,23-24H,3-5,7,9,11-21H2,1-2H3,(H,28,35).
What are the key properties of 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide?
4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide has a molecular weight of 484.69 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 23626884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).